CID 5484050

C3H7O2 — CID 5484050

IUPAC—
SMILESCOCC[O]
InChIInChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3
InChIKeyDTPPNWDAZYXHQL-UHFFFAOYSA-N
MW75.09 g/mol
LogP0.06
Rot. Bonds2

About CID 5484050

CID 5484050 (PubChem CID 5484050) has the molecular formula C3H7O2 and a molecular weight of 75.09 g/mol.

Molecular Properties

Compound NameCID 5484050
PubChem CID5484050
Molecular FormulaC3H7O2
Molecular Weight75.09 g/mol
Exact Mass75.04
IUPAC Name—
SMILESCOCC[O]
InChIInChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3
InChIKeyDTPPNWDAZYXHQL-UHFFFAOYSA-N
XLogP0.06
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 5484050?
The IUPAC name of CID 5484050 (CID 5484050) is not available.
What is the SMILES notation for CID 5484050?
The canonical SMILES for CID 5484050 is COCC[O].
What is the InChIKey of CID 5484050?
The InChIKey is DTPPNWDAZYXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3.
What are the key properties of CID 5484050?
CID 5484050 has a molecular weight of 75.09 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5484050 is sourced from PubChem (CID 5484050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).